N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C17H22N2OS — CID 115718431

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCOc3ccccc32)s1
InChIInChI=1S/C17H22N2OS/c1-11(17-12(2)19-13(3)21-17)18-10-14-8-9-20-16-7-5-4-6-15(14)16/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyBWTRCZSCZUFEGI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.98
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115718431) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID115718431
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCOc3ccccc32)s1
InChIInChI=1S/C17H22N2OS/c1-11(17-12(2)19-13(3)21-17)18-10-14-8-9-20-16-7-5-4-6-15(14)16/h4-7,11,14,18H,8-10H2,1-3H3
InChIKeyBWTRCZSCZUFEGI-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
CID 97113623
1-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylpentan-3-amine
CID 114177536
5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
CID 113451444
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105333585
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103275857
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241606
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 126774217
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105179826

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 115718431) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCC2CCOc3ccccc32)s1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is BWTRCZSCZUFEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11(17-12(2)19-13(3)21-17)18-10-14-8-9-20-16-7-5-4-6-15(14)16/h4-7,11,14,18H,8-10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115718431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).